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Substance Name: Semapimod hydrochloride
RN: 164301-51-3
UNII: A16WYQ522A
InChIKey: MAHASPGBAIQZLY-RTQZJKMDSA-N

Note

  • Macrophage-deactivating agent used to treat experimental autoimmune encephalomyelitis in mice; a tetravalent guanylhydrazone; structure given in first source.

Molecular Formula

  • C34-H52-N18-O2.4Cl-H

Molecular Weight

  • 890.7524
 
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Names and Synonyms

Results Name

  • Semapimod hydrochloride

Name of Substance

  • CNI 1493

Synonyms

  • AXD 455
  • CNI-1493
  • CNI1493
  • N,N'-Bis(3,5-bis(1-((aminoiminomethyl)hydrazono)ethyl)phenyl)decanediamide tetrahydrochloride
  • Semapimod HCl
  • Semapimod hydrochloride
  • Semapimod tetrahydrochloride
  • UNII-A16WYQ522A

Systematic Name

  • Decanediamide, N,N'-bis(3,5-bis(1-((aminoiminomethyl)hydrazono)ethyl)phenyl)-, tetrahydrochloride

Registry Numbers

CAS Registry Number

  • 164301-51-3

FDA UNII

  • A16WYQ522A

System Generated Number

  • 0164301513

Molecular Formulas

Molecular Formula

  • C34-H52-N18-O2.4Cl-H

Molecular Formula Fragments

  • C34-H52-N18-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C34H52N18O2.4ClH/c1-19(45-49-31(35)36)23-13-24(20(2)46-50-32(37)38)16-27(15-23)43-29(53)11-9-7-5-6-8-10-12-30(54)44-28-17-25(21(3)47-51-33(39)40)14-26(18-28)22(4)48-52-34(41)42;;;;/h13-18H,5-12H2,1-4H3,(H,43,53)(H,44,54)(H4,35,36,49)(H4,37,38,50)(H4,39,40,51)(H4,41,42,52);4*1H/b45-19+,46-20+,47-21+,48-22+;;;;

InChIKey

MAHASPGBAIQZLY-RTQZJKMDSA-N

Smiles

C/C(=N\NC(=N)N)/c1cc(cc(c1)/C(=N/NC(=N)N)/C)NC(=O)CCCCCCCCC(=O)Nc2cc(cc(c2)/C(=N/NC(=N)N)/C)/C(=N/NC(=N)N)/C.Cl.Cl.Cl.Cl